Geometry & MOs

Info

ID:

378296

PubChem CID:

134224372

Reduced:

PSN4O8C23H31 (1)

Stoich.:

ABC4D8E23F31 (1)

Weight, g/mol:

572.279884

ΔHf, kcal/mol:

-364.18

Dipole, Da:

4.57

IP(EA), eV:

 -9.17(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z,5E)-2-[4-(fluoromethyl)phenyl]-N-methyl-5-[(3R)-3-methylpentylidene]-4-[2-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]ethylidene]furan-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H](C)C(=O)C(C)C)NP(=O)(OC[C@@H]1O[C@@H](CS1)N2C=CC(=NC2=O)N)OC3=CC=CC=C3

DOS

IR

Vibrations